2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid

C19H15NO3 — CID 136680557

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
SMILESO=C(O)C(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H15NO3/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-20-18(19(22)23)14-7-2-1-3-8-14/h1-12,18,21H,(H,22,23)/b20-12+
InChIKeySBOMXXMNGCINJS-UDWIEESQSA-N
MW305.33 g/mol
LogP3.79
Rot. Bonds4

About 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid

2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid (PubChem CID 136680557) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
PubChem CID136680557
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
SMILESO=C(O)C(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H15NO3/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-20-18(19(22)23)14-7-2-1-3-8-14/h1-12,18,21H,(H,22,23)/b20-12+
InChIKeySBOMXXMNGCINJS-UDWIEESQSA-N
XLogP3.79
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135492595
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
(2R)-2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135832660
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
bis((2S,3S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylpentanoic acid);oxo(oxovanadiooxy)vanadium
CID 135499712
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid (CID 136680557) is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid is O=C(O)C(/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid?
The InChIKey is SBOMXXMNGCINJS-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15NO3/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-20-18(19(22)23)14-7-2-1-3-8-14/h1-12,18,21H,(H,22,23)/b20-12+.
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid?
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid has a molecular weight of 305.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid is sourced from PubChem (CID 136680557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).